Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane
β Scribed by K.B. Wiberg
- Book ID
- 103397443
- Publisher
- Elsevier Science
- Year
- 1968
- Tongue
- French
- Weight
- 885 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0040-4020
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A procedure is outlined for the calculation of molecular static electric polnrizabilities ir! excited singkt 2nd triplet states using the "finite perturbation theory" in conjunction with the CNDO/S CI method. Numerical results for the sound and the three lowest excited singlet and triplet states of
A reaction field theory, combined with the MNDO, AM1, and PM3 molecular orbital methods, was applied to hydration phenomena of metal cationic species. The first hydration shell was treated explicitly by using a supermolecular model, [M(H,O),]"+, and its surrounding medium was described with a contin